Information card for entry 4315391

Structure parameters

• Chemical name: molybdenumdifluoridedioxide,DMFadduct?
• Formula: C6 H14 F2 Mo N2 O4
• Calculated formula: C6 H14 F2 Mo N2 O4
• SMILES: N(C=[O][Mo](F)(F)(=O)(=O)[O]=CN(C)C)(C)C
• Title of publication: Molybdenum Difluoride Dioxide, MoO2F2
• Authors of publication: Hashem Shorafa; Halil Ficicioglu; Farhad Tamadon; Frank Girgsdies; Konrad Seppelt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4263 - 4267
• a: 12.5388 ± 0.0017 Å
• b: 7.8238 ± 0.0011 Å
• c: 11.5709 ± 0.0016 Å
• α: 90°
• β: 98.982 ± 0.003°
• γ: 90°
• Cell volume: 1121.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No